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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 4
Species	Rattus norvegicus (Rat)
Gene	Htr4
Synonym	5-HT-4 5-HT4 5-HT4 receptor 5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled serotonin receptor 4
Disease	N/A for non-human GPCRs
Length	406
Amino acid sequence	MDRLDANVSSNEGFGSVEKVVLLTFFAMVILMAILGNLLVMVAVCRDRQLRKIKTNYFIVSLAFADLLVSVLVNAFGAIELVQDIWFYGEMFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPMFISFLPIMQGWNNIGIVDVIEKRKFNHNSNSTFCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHAQQIQMLQRAGATSESRPQTADQHSTHRMRTETKAAKTLCVIMGCFCFCWAPFFVTNIVDPFIDYTVPEKVWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYKRPPILGQTVPCSTTTINGSTHVLRDTVECGGQWESRCHLTATSPLVAAQPVIRRPQDNDLEDSCSLKRSQS
UniProt	Q62758
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4317
IUPHAR	9
DrugBank	N/A

Ligand

Name	CHEMBL94784
Molecular formula	C17H23ClN4O4S
IUPAC name	[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 6-chloro-1H-benzimidazole-4-carboxylate
Molecular weight	414.905
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	1.9
Synonyms	6-Chloro-1H-benzimidazole-4-carboxylic acid 1-[2-(methylsulfonylamino)ethyl]piperidine-4-ylmethyl ester 3-Amino-6-chloro-1H-benzoimidazole-4-carboxylic acid 1-(2-methanesulfonylamino-ethyl)-piperidin-4-ylmethyl ester 6-Chloro-1H-benzoimidazole-4-carboxylic acid 1-(2-methanesulfonylamino-ethyl)-piperidin-4-ylmethyl ester BDBM50105647
Inchi Key	AEBKPXVIRQPQRB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H23ClN4O4S/c1-27(24,25)21-4-7-22-5-2-12(3-6-22)10-26-17(23)14-8-13(18)9-15-16(14)20-11-19-15/h8-9,11-12,21H,2-7,10H2,1H3,(H,19,20)
PubChem CID	15544728
ChEMBL	CHEMBL94784
IUPHAR	N/A
BindingDB	50105647
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	2.291 nM	PMID11597405	ChEMBL
Ki	2.3 nM	PMID11597405, PMID12383006	BindingDB,ChEMBL

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